SCHEMBL8999940

SCHEMBL8999940

CCOC(=O)Nc1nc2cc(-c3ccc(OCCN4CCN(C)CC4)nc3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
ATM Q13315 4/20 0.42
BMPR1B O00238 4/20 0.41
ACVRL1 P37023 4/20 0.41
ACVR1 Q04771 4/20 0.41
ACVR1B P36896 2/20 0.40
PRKDC P78527 1/20 0.37
DRD3 P35462 1/20 0.37
KDR P35968 1/20 0.37
CD38 P28907 1/20 0.36
F2 P00734 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
BMPR1A P36894 1/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8999285 0.93 ATM (0.43) CYP4F2ATMKDRINSR
SCHEMBL10046836 0.90 CYP4F2 (0.35) CYP4F2DRD3CYP2C19CYP4A11
SCHEMBL8999751 0.88 DYRK1A (0.40) KDRCLK2CLK3DYRK1APARP1
SCHEMBL8998926 0.85 ATM (0.42) CYP4F2ATMKDRINSR
SCHEMBL8999750 0.85 RAF1 (0.37) CYP4F2CLK2CLK3DYRK1APARP1
SCHEMBL8999871 0.84 RAF1 (0.39) CLK2CLK3DYRK1APARP1PARP2
SCHEMBL13708997 0.83 DRD3 (0.36) DRD3KDRTUBB4ATUBBTUBA3C
SCHEMBL8999151 0.83 PIK3CA (0.43) ATM
SCHEMBL8999166 0.82 POLB (0.39) KDRINSR
SCHEMBL8999997 0.82 PARP1 (0.35) CYP4F2DRD3DYRK1APARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CYP4F2 1395/4885ATM 1323/4885BMPR1B 4240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.